The results, which have been obtained within the area of macroscopic non-equilibrium thermodynamics, show tighter links between chemical thermodynamics and kinetics than usually supposed. Thermodynamics delineates the general framework which determines, among other, also the form of rate equations and puts some restrictions on coefficients occurring in these equations. The corresponding thermodynamic theory has been elaborated only for the linear fluids to date and even here some interesting questions remain to be answered. During this PhD study, following problems will be solved successively: kinetics in non-ideal fluid mixtures, applicability of activity in kinetic equations; application of the thermodynamic theory on reaction mechanisms with activated complex, study of relationships to the corresponding microscopic theory (of activated complex) and to the preceding problem; application of the theory on several selected published mechanisms, comparison of thus obtained kinetic equations with the published equations, discussion of the contribution of the novel theory to the praxis of reaction kinetics; extension of the theory outside the linear fluid model, focused particularly on reacting systems with significant effect of diffusion and on the relationship between the rate of reaction and diffusion.

Tutor prof. Ing. Miloslav Pekař, CSc.
Deadline: 30. 4. 2023
Application and contacts: https://www.fch.vut.cz/uchazeci/prijimacky/d